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	hartrees
Energy at 0K	-186.897983
Energy at 298.15K
HF Energy	-186.897983
Nuclear repulsion energy	89.857862

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)	Raman Act (Å⁴/u)	Dep P	Dep U
1	A_g	3381	3276	0.00	807.98	0.31	0.47
2	A_g	2157	2090	0.00	25.07	0.42	0.60
3	A_g	1177	1140	0.00	25.06	0.61	0.76
4	A_g	937	908	0.00	43.34	0.19	0.32
5	A_g	304	294	0.00	2.81	0.58	0.73
6	A_u	964	934	121.49	0.00	0.00	0.00
7	A_u	253	245	0.01	0.00	0.00	0.00
8	B_g	674	653	0.00	4.35	0.75	0.86
9	B_u	3381	3276	6.95	0.00	0.00	0.00
10	B_u	1753	1698	175.46	0.00	0.00	0.00
11	B_u	1143	1107	388.94	0.00	0.00	0.00
12	B_u	282	273	5.91	0.00	0.00	0.00

Atom	x (Å)	y (Å)
C1	0.228	-0.605
C2	-0.228	0.605
N3	0.228	-1.844
N4	-0.228	1.844
H5	1.167	-2.248
H6	-1.167	2.248

	C1	C2	N3	N4	H5	H6
C1		1.2920	1.2392	2.4904	1.8932	3.1756
C2	1.2920		2.4904	1.2392	3.1756	1.8932
N3	1.2392	2.4904		3.7156	1.0226	4.3233
N4	2.4904	1.2392	3.7156		4.3233	1.0226
H5	1.8932	3.1756	1.0226	4.3233		5.0664
H6	3.1756	1.8932	4.3233	1.0226	5.0664

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C1	C2	N4	159.364		C1	N3	H5	113.308
C2	C1	N3	159.364		C2	N4	H6	113.308

All results from a given calculation for HNCCNH (Ethenediimine)

using model chemistry: B3LYP/cc-pVQZ

States and conformations

	Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology
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Number	Element	Mulliken
1	C	0.076
2	C	0.076
3	N	-0.275
4	N	-0.275
5	H	0.198
6	H	0.198

	x	y	z
x	4.564	-2.001	0.000
y	-2.001	11.245	0.000
z	0.000	0.000	3.386

<r²>	80.185
(<r²>)^1/2	8.955